SCHEMBL15428686

SCHEMBL15428686

Cc1cc(N)n(-c2c(Cl)cccc2I)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15428648 0.89 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428666 0.84 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428628 0.82 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428592 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428685 0.79 ALDH1A1 (0.42) ALDH1A1CYP2C19RAB9ACYP2C9MEN1
SCHEMBL11326478 0.75 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL13172113 0.75 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL1817147 0.74 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428589 0.74 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL5826687 0.74 KDR (0.54) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885CYP1A2 575/4885CYP2C19 280/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885CYP1A2 575/4885CYP2C19 280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.